1-methyl-1-(3-phenylpropyl)guanidine;hydrochloride

C11H18ClN3 — CID 141469460

IUPAC1-methyl-1-(3-phenylpropyl)guanidine;hydrochloride
SMILESCl.[H]/N=C(\N)N(C)CCCc1ccccc1
InChIInChI=1S/C11H17N3.ClH/c1-14(11(12)13)9-5-8-10-6-3-2-4-7-10;/h2-4,6-7H,5,8-9H2,1H3,(H3,12,13);1H
InChIKeyPQEWBTAGXQZHNG-UHFFFAOYSA-N
MW227.74 g/mol
LogP1.87
Rot. Bonds4

About 1-methyl-1-(3-phenylpropyl)guanidine;hydrochloride

1-methyl-1-(3-phenylpropyl)guanidine;hydrochloride (PubChem CID 141469460) has the molecular formula C11H18ClN3 and a molecular weight of 227.74 g/mol. Its IUPAC name is 1-methyl-1-(3-phenylpropyl)guanidine;hydrochloride.

Molecular Properties

Compound Name1-methyl-1-(3-phenylpropyl)guanidine;hydrochloride
PubChem CID141469460
Molecular FormulaC11H18ClN3
Molecular Weight227.74 g/mol
Exact Mass227.12
IUPAC Name1-methyl-1-(3-phenylpropyl)guanidine;hydrochloride
SMILESCl.[H]/N=C(\N)N(C)CCCc1ccccc1
InChIInChI=1S/C11H17N3.ClH/c1-14(11(12)13)9-5-8-10-6-3-2-4-7-10;/h2-4,6-7H,5,8-9H2,1H3,(H3,12,13);1H
InChIKeyPQEWBTAGXQZHNG-UHFFFAOYSA-N
XLogP1.87
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.74
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

1-chloro-1-(2-phenylethyl)guanidine;hydrochloride
CID 141146073
2-amino-N-methyl-N-(3-phenylpropyl)acetamide
CID 43588759
1,1-dibenzylguanidine
CID 9487
N,2,2-trimethyl-N-(2-phenylethyl)propanimidamide
CID 65487169
1,2-dimethyl-3-(N'-methylcarbamimidoyl)-1-(3-phenylpropyl)guanidine
CID 123172045
1-(2-phenylethyl)-1-pyrimidin-2-ylguanidine
CID 69179529
1-benzyl-1-phenylguanidine
CID 9460
(2S)-2-amino-N,3-dimethyl-N-(3-phenylpropyl)butanamide
CID 61154408
2-amino-N,3-dimethyl-N-(3-phenylpropyl)butanamide
CID 43588760
2-amino-N-methyl-N-(4-phenylbutyl)acetamide
CID 60946836
3-[methyl(2-phenylethyl)amino]benzenecarboximidamide
CID 62971177
2,3-dimethyl-4-[methyl(3-phenylpropyl)amino]-4-oxobutanoic acid
CID 103496592

Frequently Asked Questions

What is the IUPAC name of 1-methyl-1-(3-phenylpropyl)guanidine;hydrochloride?
The IUPAC name of 1-methyl-1-(3-phenylpropyl)guanidine;hydrochloride (CID 141469460) is 1-methyl-1-(3-phenylpropyl)guanidine;hydrochloride.
What is the SMILES notation for 1-methyl-1-(3-phenylpropyl)guanidine;hydrochloride?
The canonical SMILES for 1-methyl-1-(3-phenylpropyl)guanidine;hydrochloride is Cl.[H]/N=C(\N)N(C)CCCc1ccccc1.
What is the InChIKey of 1-methyl-1-(3-phenylpropyl)guanidine;hydrochloride?
The InChIKey is PQEWBTAGXQZHNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3.ClH/c1-14(11(12)13)9-5-8-10-6-3-2-4-7-10;/h2-4,6-7H,5,8-9H2,1H3,(H3,12,13);1H.
What are the key properties of 1-methyl-1-(3-phenylpropyl)guanidine;hydrochloride?
1-methyl-1-(3-phenylpropyl)guanidine;hydrochloride has a molecular weight of 227.74 g/mol, XLogP of 1.87, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-1-(3-phenylpropyl)guanidine;hydrochloride is sourced from PubChem (CID 141469460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).